UCSF

ZINC09424200

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 33 No

Popular Name: 1-benzyl-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-5-(4-fluorophenyl)-3-hydroxy-5H-p 1-benzyl-4-(2,5-dioxabicyclo[4.4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.45 11.57 -56.2 0 6 -1 79 444.438 5 ↓
Mid Mid (pH 6-8) 2.87 10.7 -22.11 0 6 0 73 445.446 5 ↓
Mid Mid (pH 6-8) 3.89 9.67 -29.45 1 6 0 76 445.446 4 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )